Molecule

ID:92140

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-12-10-4-2-3-8-5-6-11-7-9(8)10/h2-7H,1H3
InChIKey
HHZGHKIHHIKUHK-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1cncc2
Isomeric Smiles
n1cc2c(cccc2cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1756215
LogD (pH = 7.4)
1.5769633
Log P
1.5873789
Molar Refractivity
46.8145
Polarizability
19.513763
Polar Surface Area
22.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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